4-(4-Chlorophenyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 124998-68-1]

Identification

• Name: 4-(4-Chlorophenyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(4-tert-Butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol; 5-(4-tert-Butyl-phenyl)-4-(4-chlorophenyl)-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₈H₁₈ClN₃S
• Molecular Weight: 343.87
• CAS Registry Number: 124998-68-1
• SMILES: S=C2N(c1ccc(Cl)cc1)\C(=N/N2)c3ccc(cc3)C(C)(C)C
• InChI: 1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)
• InChIKey: XKULROXVGOGMDR-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Melting point: 245-249°C (Expl.)
• Boiling point: 441.411°C at 760 mmHg (Cal.)
• Flash point: 220.758°C (Cal.)
• Refractive index: 1.638 (Cal.)

Safety Data

• Safety Description: Irritant/Stench